(5S)-7-methyl-N-(4-propyl-1,3-thiazol-2-yl)-2,7-diazaspiro[4.4]nonane-2-carboxamide

C15H24N4OS — CID 164631241

IUPAC(5S)-7-methyl-N-(4-propyl-1,3-thiazol-2-yl)-2,7-diazaspiro[4.4]nonane-2-carboxamide
SMILESCCCc1csc(NC(=O)N2CC[C@]3(CCN(C)C3)C2)n1
InChIInChI=1S/C15H24N4OS/c1-3-4-12-9-21-13(16-12)17-14(20)19-8-6-15(11-19)5-7-18(2)10-15/h9H,3-8,10-11H2,1-2H3,(H,16,17,20)/t15-/m0/s1
InChIKeyXHOJFHZCGXLZSQ-HNNXBMFYSA-N
MW308.45 g/mol
LogP2.66
Rot. Bonds3

About (5S)-7-methyl-N-(4-propyl-1,3-thiazol-2-yl)-2,7-diazaspiro[4.4]nonane-2-carboxamide

(5S)-7-methyl-N-(4-propyl-1,3-thiazol-2-yl)-2,7-diazaspiro[4.4]nonane-2-carboxamide (PubChem CID 164631241) has the molecular formula C15H24N4OS and a molecular weight of 308.45 g/mol. Its IUPAC name is (5S)-7-methyl-N-(4-propyl-1,3-thiazol-2-yl)-2,7-diazaspiro[4.4]nonane-2-carboxamide.

Molecular Properties

Compound Name(5S)-7-methyl-N-(4-propyl-1,3-thiazol-2-yl)-2,7-diazaspiro[4.4]nonane-2-carboxamide
PubChem CID164631241
Molecular FormulaC15H24N4OS
Molecular Weight308.45 g/mol
Exact Mass308.17
IUPAC Name(5S)-7-methyl-N-(4-propyl-1,3-thiazol-2-yl)-2,7-diazaspiro[4.4]nonane-2-carboxamide
SMILESCCCc1csc(NC(=O)N2CC[C@]3(CCN(C)C3)C2)n1
InChIInChI=1S/C15H24N4OS/c1-3-4-12-9-21-13(16-12)17-14(20)19-8-6-15(11-19)5-7-18(2)10-15/h9H,3-8,10-11H2,1-2H3,(H,16,17,20)/t15-/m0/s1
InChIKeyXHOJFHZCGXLZSQ-HNNXBMFYSA-N
XLogP2.66
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5S)-7-methyl-N-(4-propyl-1,3-thiazol-2-yl)-2,7-diazaspiro[4.4]nonane-2-carboxamide with MolForge

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Related Compounds

N-(4-Cyclopropyl-1,3-thiazol-2-YL)pyrrolidine-1-carboxamide
CID 47200521
1-(4-Cyclobutyl-1,3-thiazol-2-yl)-3-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]urea
CID 132385232
(3R,4S)-3-(aminomethyl)-N-(4-cyclobutyl-1,3-thiazol-2-yl)-3,4-dimethylpyrrolidine-1-carboxamide
CID 137998091
1-[4-[3-(Dimethylamino)propyl]-1,3-thiazol-2-yl]-1-ethyl-3-propylurea
CID 10732857
1-(4-Cyclobutyl-1,3-thiazol-2-yl)-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]urea
CID 132385233
1-(4-Tert-butyl-1,3-thiazol-2-yl)-3-pentylurea
CID 57792318
1-(4-Tert-butyl-1,3-thiazol-2-yl)-3-cyclopentylurea
CID 57971544
1-[4-(2-Methylbutan-2-yl)-1,3-thiazol-2-yl]-3-pentylurea
CID 87065400
4-[2-[[N'-(3-methylbutyl)carbamimidoyl]amino]-1,3-thiazol-4-yl]butylurea
CID 139707654
N-[3-[2-[[N'-(3-methylbutyl)carbamimidoyl]amino]-1,3-thiazol-4-yl]propyl]acetamide
CID 139707671
1,1-Diethyl-3-(4-propyl-1,3-thiazol-2-yl)urea
CID 141981870
N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-methylpiperidine-1-carboxamide
CID 47200504

Frequently Asked Questions

What is the IUPAC name of (5S)-7-methyl-N-(4-propyl-1,3-thiazol-2-yl)-2,7-diazaspiro[4.4]nonane-2-carboxamide?
The IUPAC name of (5S)-7-methyl-N-(4-propyl-1,3-thiazol-2-yl)-2,7-diazaspiro[4.4]nonane-2-carboxamide (CID 164631241) is (5S)-7-methyl-N-(4-propyl-1,3-thiazol-2-yl)-2,7-diazaspiro[4.4]nonane-2-carboxamide.
What is the SMILES notation for (5S)-7-methyl-N-(4-propyl-1,3-thiazol-2-yl)-2,7-diazaspiro[4.4]nonane-2-carboxamide?
The canonical SMILES for (5S)-7-methyl-N-(4-propyl-1,3-thiazol-2-yl)-2,7-diazaspiro[4.4]nonane-2-carboxamide is CCCc1csc(NC(=O)N2CC[C@]3(CCN(C)C3)C2)n1.
What is the InChIKey of (5S)-7-methyl-N-(4-propyl-1,3-thiazol-2-yl)-2,7-diazaspiro[4.4]nonane-2-carboxamide?
The InChIKey is XHOJFHZCGXLZSQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H24N4OS/c1-3-4-12-9-21-13(16-12)17-14(20)19-8-6-15(11-19)5-7-18(2)10-15/h9H,3-8,10-11H2,1-2H3,(H,16,17,20)/t15-/m0/s1.
What are the key properties of (5S)-7-methyl-N-(4-propyl-1,3-thiazol-2-yl)-2,7-diazaspiro[4.4]nonane-2-carboxamide?
(5S)-7-methyl-N-(4-propyl-1,3-thiazol-2-yl)-2,7-diazaspiro[4.4]nonane-2-carboxamide has a molecular weight of 308.45 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-methyl-N-(4-propyl-1,3-thiazol-2-yl)-2,7-diazaspiro[4.4]nonane-2-carboxamide is sourced from PubChem (CID 164631241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).